2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one

C7H11N3O — CID 20801974

IUPAC2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESC=C1N(C)C(=O)N2CCCN12
InChIInChI=1S/C7H11N3O/c1-6-8(2)7(11)10-5-3-4-9(6)10/h1,3-5H2,2H3
InChIKeyOROCSCDMVDUWAL-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.45
Rot. Bonds

About 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one

2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one (PubChem CID 20801974) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one.

Molecular Properties

Compound Name2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one
PubChem CID20801974
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESC=C1N(C)C(=O)N2CCCN12
InChIInChI=1S/C7H11N3O/c1-6-8(2)7(11)10-5-3-4-9(6)10/h1,3-5H2,2H3
InChIKeyOROCSCDMVDUWAL-UHFFFAOYSA-N
XLogP0.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 20591271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one?
The IUPAC name of 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one (CID 20801974) is 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one.
What is the SMILES notation for 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one?
The canonical SMILES for 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one is C=C1N(C)C(=O)N2CCCN12.
What is the InChIKey of 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one?
The InChIKey is OROCSCDMVDUWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-8(2)7(11)10-5-3-4-9(6)10/h1,3-5H2,2H3.
What are the key properties of 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one?
2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one has a molecular weight of 153.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-3-one is sourced from PubChem (CID 20801974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).